5-[(3-bromophenyl)methoxy]pyridine-2-carbaldehyde

C13H10BrNO2 — CID 79794412

IUPAC5-[(3-bromophenyl)methoxy]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(OCc2cccc(Br)c2)cn1
InChIInChI=1S/C13H10BrNO2/c14-11-3-1-2-10(6-11)9-17-13-5-4-12(8-16)15-7-13/h1-8H,9H2
InChIKeyHZWQGRUOLDDPKF-UHFFFAOYSA-N
MW292.13 g/mol
LogP3.24
Rot. Bonds4

About 5-[(3-bromophenyl)methoxy]pyridine-2-carbaldehyde

5-[(3-bromophenyl)methoxy]pyridine-2-carbaldehyde (PubChem CID 79794412) has the molecular formula C13H10BrNO2 and a molecular weight of 292.13 g/mol. Its IUPAC name is 5-[(3-bromophenyl)methoxy]pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-[(3-bromophenyl)methoxy]pyridine-2-carbaldehyde
PubChem CID79794412
Molecular FormulaC13H10BrNO2
Molecular Weight292.13 g/mol
Exact Mass290.99
IUPAC Name5-[(3-bromophenyl)methoxy]pyridine-2-carbaldehyde
SMILESO=Cc1ccc(OCc2cccc(Br)c2)cn1
InChIInChI=1S/C13H10BrNO2/c14-11-3-1-2-10(6-11)9-17-13-5-4-12(8-16)15-7-13/h1-8H,9H2
InChIKeyHZWQGRUOLDDPKF-UHFFFAOYSA-N
XLogP3.24
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[(3-methylphenyl)methoxy]pyridine-2-carbaldehyde
CID 79794315
5-[(3-bromo-4-fluorophenyl)methoxy]pyridine-2-carbaldehyde
CID 79794837
[5-[(3-bromophenyl)methoxy]-2-pyridinyl]methanol
CID 79793730
1-bromo-3-[(4-fluorophenoxy)methyl]benzene
CID 60643983
1-bromo-3-[(4-iodophenoxy)methyl]benzene
CID 60645515
2-bromo-6-[(3-bromophenyl)methoxy]naphthalene
CID 7786828
1-bromo-3-[(4-chlorophenoxy)methyl]benzene
CID 60643956
N-[[5-[(3-bromophenyl)methoxy]-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79788995
5-(3-phenylpropoxy)pyridine-2-carbaldehyde
CID 79794594
5-[(3-bromothiophen-2-yl)methoxy]pyridine-2-carbaldehyde
CID 79794312
1-bromo-3-[(4-propoxyphenoxy)methyl]benzene
CID 60645272
3-bromo-2-[(3-bromophenyl)methoxy]benzaldehyde
CID 55225437

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenyl)methoxy]pyridine-2-carbaldehyde?
The IUPAC name of 5-[(3-bromophenyl)methoxy]pyridine-2-carbaldehyde (CID 79794412) is 5-[(3-bromophenyl)methoxy]pyridine-2-carbaldehyde.
What is the SMILES notation for 5-[(3-bromophenyl)methoxy]pyridine-2-carbaldehyde?
The canonical SMILES for 5-[(3-bromophenyl)methoxy]pyridine-2-carbaldehyde is O=Cc1ccc(OCc2cccc(Br)c2)cn1.
What is the InChIKey of 5-[(3-bromophenyl)methoxy]pyridine-2-carbaldehyde?
The InChIKey is HZWQGRUOLDDPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO2/c14-11-3-1-2-10(6-11)9-17-13-5-4-12(8-16)15-7-13/h1-8H,9H2.
What are the key properties of 5-[(3-bromophenyl)methoxy]pyridine-2-carbaldehyde?
5-[(3-bromophenyl)methoxy]pyridine-2-carbaldehyde has a molecular weight of 292.13 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenyl)methoxy]pyridine-2-carbaldehyde is sourced from PubChem (CID 79794412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).